N6-[4-chloranyl-3-(trifluoromethyl)phenyl]-N4-cycloheptyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[4-chloranyl-3-(trifluoromethyl)phenyl]-N4-cycloheptyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[4-chloro-3-(trifluoromethyl)phenyl]-N4-cycloheptyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[4-chloro-3-(trifluoromethyl)phenyl]-N4-cycloheptyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-cycloheptyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-[4-chloro-3-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-cycloheptyl-amine Formula: C18H19ClF3N5O2 MolecularWeight: 429.82397

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CCCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C18H19ClF3N5O2/c19-14-8-7-12(9-13(14)18(20,21)22)26-17-15(27(28)29)16(23-10-24-17)25-11-5-3-1-2-4-6-11/h7-11H,1-6H2,(H2,23,24,25,26)